UCSF

ZINC16566614

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.34 11.94 -95.05 3 9 2 93 440.548 5
Hi High (pH 8-9.5) 2.34 9.58 -46.02 2 9 1 92 439.54 5
Mid Mid (pH 6-8) 2.34 9.17 -16.45 1 9 0 91 438.532 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )